SCHEMBL3661584

SCHEMBL3661584

Cc1cccc(-c2cc(-c3cncc(Br)c3)cc(NCc3ccccc3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
FYN P06241 1/20 0.44
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3664081 0.85 GPR39 (0.49) GABRG2GABRB3GABRA5GABRA3FYN
SCHEMBL3668750 0.83 CYP1A2 (0.51) FYNBRAFALDH1A1SMN1; SMN2HPGD
SCHEMBL3719314 0.82 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3FYN
SCHEMBL3664857 0.80 CYP2A6 (0.38) GABRG2GABRB3GABRA5GABRA3KMT2A
SCHEMBL3727941 0.80 HRH4 (0.50) PKMHRH1HRH4
SCHEMBL3662671 0.78 EGFR (0.37) CDC7GPR39
SCHEMBL3664532 0.78 GPR39 (0.42) GABRG2GABRB3GABRA5GABRA3FYN
SCHEMBL3660667 0.78 CYP2A6 (0.40)
SCHEMBL3658012 0.77 CYP2A6 (0.43) MEN1KMT2A
SCHEMBL3719551 0.77 POLB (0.45) BRAFALDH1A1MAPTHRH1HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK GABRG2 3823/4885GABRB3 3062/4885GABRA5 4222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.